(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H23ClO5 MolecularWeight: 402.86802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H23ClO5/c1-26-16-2-3-17-15(5-19(24)28-18(17)6-16)11-27-20(25)21-7-13-4-14(8-21)10-22(23,9-13)12-21/h2-3,5-6,13-14H,4,7-12H2,1H3/t13-,14+,21?,22?